(2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine

C9H18N2 — CID 82755794

IUPAC(2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CN1CCNC[C@@H]1C
InChIInChI=1S/C9H18N2/c1-8(2)7-11-5-4-10-6-9(11)3/h9-10H,1,4-7H2,2-3H3/t9-/m0/s1
InChIKeyMIJZPBIFDHTRPL-VIFPVBQESA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds2

About (2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine

(2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine (PubChem CID 82755794) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine
PubChem CID82755794
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CN1CCNC[C@@H]1C
InChIInChI=1S/C9H18N2/c1-8(2)7-11-5-4-10-6-9(11)3/h9-10H,1,4-7H2,2-3H3/t9-/m0/s1
InChIKeyMIJZPBIFDHTRPL-VIFPVBQESA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine?
The IUPAC name of (2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine (CID 82755794) is (2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine.
What is the SMILES notation for (2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine?
The canonical SMILES for (2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine is C=C(C)CN1CCNC[C@@H]1C.
What is the InChIKey of (2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine?
The InChIKey is MIJZPBIFDHTRPL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)7-11-5-4-10-6-9(11)3/h9-10H,1,4-7H2,2-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine?
(2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine is sourced from PubChem (CID 82755794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).